4-[bis(2-chloroethyl)amino]-3-(2-methylpropoxy)benzoic acid

Systemtic Name: 4-[bis(2-chloroethyl)amino]-3-(2-methylpropoxy)benzoic acid Openeye Name: 4-[bis(2-chloroethyl)amino]-3-isobutoxy-benzoic acid CAS Name: 4-[bis(2-chloroethyl)amino]-3-(2-methylpropoxy)benzoic acid IUPAC Name: 4-[bis(2-chloroethyl)amino]-3-(2-methylpropoxy)benzoic acid Traditional Name: 4-[bis(2-chloroethyl)amino]-3-isobutoxy-benzoic acid Formula: C15H21Cl2NO3 MolecularWeight: 334.23814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C15H21Cl2NO3/c1-11(2)10-21-14-9-12(15(19)20)3-4-13(14)18(7-5-16)8-6-17/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,20)